High-performance Universal Force Field (UFF) relaxation engine in Rust. Optimized for large-scale molecular systems (100k+ atoms) with CellList and Rayon parallelism.
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Mar 4, 2026 - Rust
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forblaze
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A lightweight, zero-dependency Rust crate for Gasteiger-Marsili PEOE partial atomic charge assignment.
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Feb 18, 2026 - Rust
A lightweight, high-performance molecular geometry optimizer based on VSEPR theory and spatial hashing, written in Rust.
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Feb 14, 2026 - Rust
A lightweight, robust local job scheduler in Rust. Features resource management, multi-queue support, and PBS compatibility for Linux and Windows.
windowslinuxrusthpcworkstationjob-schedulerzero-dependencybatch-processingresource-managementsingle-binaryforblazepbs-compatiblelocal-queue
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Jul 20, 2026 - Rust
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